SCHEMBL3579096

SCHEMBL3579096

CC(C)Oc1ccc(-c2ccc3c(cc(C(=O)O)n3-c3ccc(OC(C)C)cc3)c2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.52
CLK1 P49759 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MCL1 Q07820 5/20 0.37
BCL2 P10415 3/20 0.37
MDM2 Q00987 3/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
KMT2A Q03164 2/20 0.36
PTGDR Q13258 2/20 0.35
PTPN11 Q06124 1/20 0.35
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3581420 0.88 ALDH1A1 (0.41) PTGESCLK1GSK3BDYRK1ACLK4
Hydrochloric Acid SCHEMBL3580235 0.82 PTGES (0.55) PTGESMCL1BCL2MDM2PRKAB2
SCHEMBL3574863 0.80 PTGES (0.52) PTGESMCL1BCL2MDM2PRKAB2
SCHEMBL3574806 0.74 PTGES (0.85) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL3574822 0.72 PTGES (0.71) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL4097942 0.71 PTGES (0.57) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL3580873 0.71 PTGES (0.64) PTGESMCL1BCL2MDM2PRKAB2
SCHEMBL3571774 0.71 PTGES (0.43) PTGESKMT2AMEN1NPC1MAPT
SCHEMBL3579996 0.70 PTGES (0.78) PTGESMCL1BCL2MDM2KMT2A
SCHEMBL3574862 0.70 PTGES (0.77) PTGESMCL1BCL2MDM2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885CLK1 4076/4885GSK3B 2131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.